Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 4/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.63 |
| ▸ | TACR3 | P29371 | 4/20 | 0.54 |
| ▸ | DRD3 | P35462 | 6/20 | 0.52 |
| ▸ | HTR2A | P28223 | 5/20 | 0.52 |
| ▸ | HRH1 | P35367 | 5/20 | 0.52 |
| ▸ | OPRD1 | P41143 | 5/20 | 0.52 |
| ▸ | OPRK1 | P41145 | 5/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | DRD2 | P14416 | 3/20 | 0.52 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.52 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.52 |
| ▸ | HTR2B | P41595 | 3/20 | 0.52 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL904872 | 0.93 | CYP3A4 (0.55) | CYP2C19ALDH1A1TACR3DRD3HTR2A | |
| SCHEMBL904929 | 0.92 | TACR3 (0.55) | CYP2C19ALDH1A1TACR3DRD3HTR2A | |
| SCHEMBL904909 | 0.91 | CYP3A4 (0.57) | CYP2C19ALDH1A1TACR3DRD3HTR2A | |
| SCHEMBL904874 | 0.90 | TACR3 (0.57) | CYP2C19ALDH1A1TACR3DRD3HTR2A | |
| SCHEMBL904873 | 0.87 | DRD2 (0.54) | CYP2C19ALDH1A1TACR3DRD3HTR2A | |
| SCHEMBL904871 | 0.86 | DRD2 (0.58) | TACR3DRD3HTR2AHRH1OPRD1 | |
| SCHEMBL904879 | 0.86 | CYP3A4 (0.53) | CYP2C19ALDH1A1TACR3DRD3HTR2A | |
| SCHEMBL904880 | 0.84 | TACR3 (0.54) | CYP2C19TACR3DRD3HTR2AHRH1 | |
| SCHEMBL904917 | 0.83 | DRD3 (0.52) | CYP2C19ALDH1A1DRD3HTR2AHRH1 | |
| SCHEMBL904881 | 0.82 | OPRM1 (0.73) | TACR3DRD3HTR2AHRH1OPRD1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011143444-A2 | DIPHENYLBUTYPIPERIDINE AUTOPHAGY INDUCERS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2011-11-17 | — | — | WO | disclosed |